CID 84039098

1-(2,4-dimethoxy-5-methylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1=CC(=C(C=C1OC)OC)CN
InChI
InChI=1S/C10H15NO2/c1-7-4-8(6-11)10(13-3)5-9(7)12-2/h4-5H,6,11H2,1-3H3
InChIKey
CWXYUBALICMCSU-UHFFFAOYSA-N
Compound name
(2,4-dimethoxy-5-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 138.4
[M+Na]+ 204.09950 147.3
[M-H]- 180.10300 142.3
[M+NH4]+ 199.14410 158.7
[M+K]+ 220.07344 145.8
[M+H-H2O]+ 164.10754 132.6
[M+HCOO]- 226.10848 163.5
[M+CH3COO]- 240.12413 186.0
[M+Na-2H]- 202.08495 143.2
[M]+ 181.10973 141.0
[M]- 181.11083 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.